3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole

C15H20N2O2 — CID 22989642

IUPAC3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
SMILESCOC1CCN(CCc2noc3ccccc23)CC1
InChIInChI=1S/C15H20N2O2/c1-18-12-6-9-17(10-7-12)11-8-14-13-4-2-3-5-15(13)19-16-14/h2-5,12H,6-11H2,1H3
InChIKeyCUEZKJCUHNJAHH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds4

About 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole

3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole (PubChem CID 22989642) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
PubChem CID22989642
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
SMILESCOC1CCN(CCc2noc3ccccc23)CC1
InChIInChI=1S/C15H20N2O2/c1-18-12-6-9-17(10-7-12)11-8-14-13-4-2-3-5-15(13)19-16-14/h2-5,12H,6-11H2,1H3
InChIKeyCUEZKJCUHNJAHH-UHFFFAOYSA-N
XLogP2.48
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
The IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole (CID 22989642) is 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
The canonical SMILES for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole is COC1CCN(CCc2noc3ccccc23)CC1.
What is the InChIKey of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
The InChIKey is CUEZKJCUHNJAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-12-6-9-17(10-7-12)11-8-14-13-4-2-3-5-15(13)19-16-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole has a molecular weight of 260.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole is sourced from PubChem (CID 22989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).